Task 38676482

Name test_632-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND3671_0
Workunit 31618390
Created 26 Oct 2026, 11:26:37 UTC
Sent 26 Oct 2026, 11:26:45 UTC
Report deadline 31 Oct 2026, 11:26:45 UTC
Received 26 Oct 2026, 11:42:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652094
Run time 15 min 39 sec
CPU time 14 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 771.98 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
12:27:25 (59064): wrapper (7.9.26016): starting
12:27:25 (59064): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
12:27:26 (59064): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:27:26 (59064): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
12:42:30 (59064): C:/Windows/system32/cmd.exe exited; CPU time 888.859375
12:42:30 (59064): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 23050522 bytes.
Dumping objects ->
{3835546} normal block at 0x0000022A7BB66C70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x0000022A7BB66960, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x0000022A7BB668F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x0000022A7BB66880, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x0000022A7BB66B90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x0000022A7D7F5D30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x0000022A7D80F0F0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835457} normal block at 0x0000022A7BB61300, 8 bytes long.
 Data: <  &#179;{*   > 00 00 B3 7B 2A 02 00 00 
{3834685} normal block at 0x0000022A7D80F410, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000022A7BB61120, 8 bytes long.
 Data: <&#240;b&#133;}*   > F0 62 85 7D 2A 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022A7BB62F10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022A7BB57AC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000022A7BB678B0, 16 bytes long.
 Data: <H &#182;{*           > 48 81 B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022A7BB67C70, 16 bytes long.
 Data: <  &#182;{*           > 20 81 B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022A7BB61AC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000022A7BB67270, 16 bytes long.
 Data: <&#248; &#182;{*           > F8 80 B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022A7BB671D0, 16 bytes long.
 Data: <&#208; &#182;{*           > D0 80 B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022A7BB67090, 16 bytes long.
 Data: <&#168; &#182;{*           > A8 80 B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022A7BB67770, 16 bytes long.
 Data: <  &#182;{*           > 80 80 B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022A7BB667A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000022A7BB67AE0, 16 bytes long.
 Data: <&#232;&#172;&#181;{*           > E8 AC B5 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022A7BB616A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000022A7BB67180, 16 bytes long.
 Data: <&#192;&#172;&#181;{*           > C0 AC B5 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022A7BB67A90, 16 bytes long.
 Data: < &#172;&#181;{*           > 98 AC B5 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022A7BB67630, 16 bytes long.
 Data: <p&#172;&#181;{*           > 70 AC B5 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022A7BB67860, 16 bytes long.
 Data: <H&#172;&#181;{*           > 48 AC B5 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022A7BB67950, 16 bytes long.
 Data: < &#172;&#181;{*           > 20 AC B5 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022A7BB66FA0, 16 bytes long.
 Data: <&#248;&#171;&#181;{*           > F8 AB B5 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022A7BB61D00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000022A7BB67D60, 16 bytes long.
 Data: <&#208;&#171;&#181;{*           > D0 AB B5 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022A7BB5ABD0, 320 bytes long.
 Data: <`}&#182;{*     &#182;{*   > 60 7D B6 7B 2A 02 00 00 00 1D B6 7B 2A 02 00 00 
{276} normal block at 0x0000022A7BB67BD0, 16 bytes long.
 Data: <` &#182;{*           > 60 80 B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022A7BB67220, 16 bytes long.
 Data: <8 &#182;{*           > 38 80 B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022A7BB61760, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000022A7BB66F00, 16 bytes long.
 Data: <  &#182;{*           > 10 80 B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022A7BB62000, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000022A7BB67B80, 16 bytes long.
 Data: <X &#182;{*           > 58 7F B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022A7BB672C0, 16 bytes long.
 Data: <0 &#182;{*           > 30 7F B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022A7BB67130, 16 bytes long.
 Data: <  &#182;{*           > 08 7F B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022A7BB67040, 16 bytes long.
 Data: <&#224;~&#182;{*           > E0 7E B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022A7BB66F50, 16 bytes long.
 Data: <&#184;~&#182;{*           > B8 7E B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022A7BB67720, 16 bytes long.
 Data: < ~&#182;{*           > 90 7E B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022A7BB67A40, 16 bytes long.
 Data: <Pf&#182;{*           > 50 66 B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022A7BB66650, 40 bytes long.
 Data: <@z&#182;{*   0] }*   > 40 7A B6 7B 2A 02 00 00 30 5D 7F 7D 2A 02 00 00 
{262} normal block at 0x0000022A7BB670E0, 16 bytes long.
 Data: <p~&#182;{*           > 70 7E B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022A7BB67C20, 16 bytes long.
 Data: <H~&#182;{*           > 48 7E B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022A7BB621E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000022A7BB675E0, 16 bytes long.
 Data: < ~&#182;{*           > 20 7E B6 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022A7BB67E20, 992 bytes long.
 Data: <&#224;u&#182;{*   &#224;!&#182;{*   > E0 75 B6 7B 2A 02 00 00 E0 21 B6 7B 2A 02 00 00 
{94} normal block at 0x0000022A7BB62180, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000022A7BB60A90, 16 bytes long.
 Data: <&#192;&#198;&#180;{*           > C0 C6 B4 7B 2A 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000022A7BB4C6C0, 40 bytes long.
 Data: <  &#182;{*    !&#182;{*   > 90 0A B6 7B 2A 02 00 00 80 21 B6 7B 2A 02 00 00 
{71} normal block at 0x0000022A7BB61260, 16 bytes long.
 Data: < &#234;t &#246;           > 80 EA 74 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022A7BB61580, 16 bytes long.
 Data: <@&#233;t &#246;           > 40 E9 74 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022A7BB60C70, 16 bytes long.
 Data: <&#248;Wq &#246;           > F8 57 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022A7BB61530, 16 bytes long.
 Data: <&#216;Wq &#246;           > D8 57 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022A7BB60E00, 16 bytes long.
 Data: <P q &#246;           > 50 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022A7BB614E0, 16 bytes long.
 Data: <0 q &#246;           > 30 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022A7BB61170, 16 bytes long.
 Data: <&#224; q &#246;           > E0 02 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022A7BB61440, 16 bytes long.
 Data: <  q &#246;           > 10 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022A7BB611C0, 16 bytes long.
 Data: <p q &#246;           > 70 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022A7BB60B30, 16 bytes long.
 Data: < &#192;o &#246;           > 18 C0 6F 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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